Application of HS-SPME-GC-MS derived variables for monitoring ripening induced changes in cheese volatile compounds
Fig. S1. Typical TIC chromatograms of the HS-SPME-GC-MS analyses of “Pirotski kačkavalj” cheese: sample EC1, extraction of flavor compounds carried out with PDMS (top) and PA fibers (bottom); 1-ethanol, 2- 3-methyl-1-butanol, 3- 2-heptanone, 4- 2-nonanone, 5- butanoic acid and 6- hexanoic acid
Fig. S2. a) Dendrogram (AHC analysis) representing chemical composition dissimilarity relationships (relative amounts of individual compounds were used as variables: PA and PDMS original variables) of 16 cheese samples (observations) obtained by Euclidian distance dissimilarity (dissimilarity within the interval [0, 3500], using aggregation criterion-Ward's method). Four statistically different groups of samples were found. b) PCA ordination (original variables) of 16 cheese samples (observations). Axes (F1 and F2 factors-the first and second principal component) refer to the ordination scores obtained for the samples. Axis F1 accounts for ca. 33% and axis F2 accounts for a further 16% of the total variance. c) Dendrogram (AHC analysis) representing chemical composition dissimilarity relationships (relative amounts of classes of compounds were used as variables: PA and PDMS transformed variables) of 16 cheese samples obtained by Euclidian distance dissimilarity (dissimilarity within the interval [0, 9200]). Three statistically different groups of samples were found. d) PCA ordination (transformed variables) of 16 cheese samples. Axis F1 accounts for ca. 38% and axis F2 accounts for a further 34% of the total variance
Table S1. The major compounds (relative abundance ? 2%) identified by HS-SPME-GC/MS analysis of the volatile fractions of two types of “Pirotski kačkavalj” cheese prepared from ewes’ (EC) and cows’ milk (CC) at four different ripening stagesa
RIc
|
Method of identificationd
|
RT (min)
|
Compound
|
Relative abundance (peak area, %)b
|
EC1
|
EC2
|
EC3
|
EC4
|
CC1
|
CC2
|
CC3
|
CC4
|
PDMSe
|
PAf
|
PDMS
|
PA
|
PDMS
|
PA
|
PDMS
|
PA
|
PDMS
|
PA
|
PDMS
|
PA
|
PDMS
|
PA
|
PDMS
|
PA
|
|
|
|
ACIDSg
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
600-700
|
MS, RI, CoI
|
1.73
|
Acetic acid
|
ndh
|
tri
|
2.5
|
4.0
|
1.6
|
7.1
|
5.1
|
16.2
|
nd
|
nd
|
nd
|
20.4
|
2.7
|
14.3
|
5.9
|
16.8
|
785
|
MS, RI, CoI
|
4.97
|
2-Methylpropanoic acid
|
nd
|
nd
|
tr
|
1.2
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
831
|
MS, RI, CoI
|
5.78
|
Butanoic acid
|
0.6
|
12.0
|
6.3
|
35.5
|
14.3
|
42.0
|
6.2
|
31.2
|
tr
|
1.5
|
tr
|
2.0
|
4.2
|
17.3
|
2.2
|
13.1
|
866
|
MS, RI, CoI
|
7.42
|
3-Methylbutanoic acid
|
nd
|
nd
|
tr
|
1.6
|
0.3
|
0.8
|
nd
|
0.8
|
nd
|
nd
|
nd
|
nd
|
nd
|
tr
|
nd
|
nd
|
875
|
MS, RI, CoI
|
7.66
|
2-Methylbutanoic acid
|
nd
|
nd
|
0.1
|
0.5
|
tr
|
0.3
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
908
|
MS, RI, CoI
|
8.60
|
Pentanoic acid
|
nd
|
nd
|
nd
|
0.2
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
1010
|
MS, RI, CoI
|
10.64
|
Hexanoic acid
|
tr
|
10.4
|
6.2
|
15.6
|
12.2
|
17.6
|
6.9
|
23.2
|
2.5
|
18.0
|
tr
|
tr
|
2.3
|
11.5
|
tr
|
6.9
|
1182
|
MS, RI, CoI
|
13.86
|
Octanoic acid
|
tr
|
tr
|
3.4
|
1.7
|
4.5
|
1.6
|
tr
|
3.5
|
tr
|
tr
|
1.7
|
nd
|
tr
|
tr
|
nd
|
nd
|
1377
|
MS, RI, CoI
|
16.61
|
Decanoic acid
|
nd
|
nd
|
0.6
|
0.9
|
tr
|
tr
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
|
|
|
Subtotal (%)
|
0.6
|
22.4
|
19.1
|
61.2
|
32.9
|
69.4
|
18.2
|
74.9
|
2.5
|
19.5
|
1.7
|
22.4
|
9.2
|
43.1
|
8.1
|
36.8
|
|
|
|
ESTERS
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
612
|
MS, RI, CoI
|
2.20
|
Ethyl acetate
|
3.0
|
nd
|
tr
|
tr
|
1.6
|
tr
|
7.2
|
nd
|
1.7
|
0.8
|
4.5
|
tr
|
4.9
|
tr
|
tr
|
3.5
|
779
|
MS, RI, CoI
|
5.01
|
2-Methylpropyl acetate
|
nd
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
801
|
MS, RI, CoI
|
5.88
|
Ethyl butanoate
|
tr
|
nd
|
tr
|
tr
|
0.5
|
2.2
|
tr
|
tr
|
nd
|
nd
|
nd
|
nd
|
tr
|
nd
|
nd
|
nd
|
873
|
MS, RI, CoI
|
7.11
|
Propyl butanoate
|
nd
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
879
|
MS, RI, CoI
|
7.33
|
1-Methylbutyl acetate
|
nd
|
nd
|
0.6
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
881
|
MS, RI, CoI
|
8.04
|
3-Methyl-1-butyl acetate
|
nd
|
nd
|
0.2
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
tr
|
nd
|
920
|
MS, RI, CoI
|
9.20
|
Methyl hexanoate
|
nd
|
nd
|
0.1
|
tr
|
tr
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
966
|
MS, RI
|
9.73
|
Methyl 2-hydroxy-4-methylpentanoate
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
tr
|
1.1
|
nd
|
nd
|
nd
|
tr
|
nd
|
nd
|
950
|
MS, RI
|
9.80
|
Ethyl 3-oxobutanoate
|
nd
|
nd
|
nd
|
0.1
|
nd
|
nd
|
nd
|
0.3
|
7.0
|
5.7
|
0.6
|
nd
|
nd
|
0.7
|
nd
|
tr
|
958
|
MS, RI, CoI
|
9.86
|
2-Methylpropyl butanoate
|
nd
|
nd
|
0.5
|
0.1
|
tr
|
nd
|
nd
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
tr
|
nd
|
1002
|
MS, RI, CoI
|
10.78
|
Ethyl hexanoate
|
1.2
|
nd
|
2.8
|
nd
|
5.7
|
2.4
|
1.8
|
tr
|
1.0
|
0.0
|
tr
|
nd
|
0.7
|
0.3
|
nd
|
nd
|
1030
|
MS, RI
|
11.26
|
1-Methylbutyl butanoate
|
nd
|
nd
|
0.2
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
1046
|
MS, RI, CoI
|
11.49
|
1-Methylethyl hexanoate
|
nd
|
nd
|
tr
|
nd
|
0.2
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
1047
|
MS, RI, CoI
|
11.83
|
Butyl 3-methylbutanoate
|
nd
|
nd
|
0.7
|
0.1
|
0.3
|
nd
|
tr
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
2.1
|
nd
|
1068
|
MS, RI, CoI
|
11.88
|
3-Methylbutyl butanoate
|
tr
|
nd
|
tr
|
0.1
|
tr
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
nd
|
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